2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(4-tert-butylphenoxy)benzyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinoline Formula: C29H35NO3 MolecularWeight: 445.5931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CCN(CC2=C1)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C2CCN(CC2=C1)CC3=CC(=CC=C3)OC4=CC=C(C=C4)C(C)(C)C)OC

InChI

InChI=1S/C29H35NO3/c1-6-32-28-18-23-20-30(15-14-22(23)17-27(28)31-5)19-21-8-7-9-26(16-21)33-25-12-10-24(11-13-25)29(2,3)4/h7-13,16-18H,6,14-15,19-20H2,1-5H3